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SUMMARY:BEEF: Bayesian Error Estimate Functionals - Matthew Evans (Univers
 ity of Cambridge)
DTSTART:20181010T103000Z
DTEND:20181010T113000Z
UID:TALK112363@talks.cam.ac.uk
CONTACT:Nick Woods
DESCRIPTION:In this Journal Club-style talk\, I shall discuss a series of 
 papers [1-4] on error estimate functionals for density functional theory.\
 n\n* [1] Bayesian Error Estimation in Density-Functional Theory\, J. J. Mo
 rtensen et al.\, Phys. Rev. Lett. 95\, 216401 (2005)\n* [2] Density functi
 onals for surface science: Exchange-correlation model development with Bay
 esian error estimation Jess Wellendorff et al. Phys. Rev. B 85\, 235149 (2
 012)\n* [3] mBEEF: An accurate semi-local Bayesian error estimation densit
 y functional\, Jess Wellendorff et al.\, J. Chem. Phys. 140\, 144107 (2014
 )\n* [4] mBEEF-vdW: Robust fitting of error estimation density functionals
 \, Keld T. Lundgaard et al. Phys. Rev. B 93\, 235162 (2016)
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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